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Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine
The title compound, C(15)H(14)N(4)O, crystallizes with two molecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175 Å). In the first molecule, the dihedral angles between the planes of the central pyrazole ring and the pendant phenyl and pyrrol...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257281/ https://www.ncbi.nlm.nih.gov/pubmed/25484837 http://dx.doi.org/10.1107/S1600536814023514 |
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author | Mague, Joel T. Mohamed, Shaaban K. Akkurt, Mehmet El-Emary, Talaat I. Albayati, Mustafa R. |
author_facet | Mague, Joel T. Mohamed, Shaaban K. Akkurt, Mehmet El-Emary, Talaat I. Albayati, Mustafa R. |
author_sort | Mague, Joel T. |
collection | PubMed |
description | The title compound, C(15)H(14)N(4)O, crystallizes with two molecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175 Å). In the first molecule, the dihedral angles between the planes of the central pyrazole ring and the pendant phenyl and pyrrole rings are 42.69 (8) and 51.88 (6)°, respectively, with corresponding angles of 54.49 (7) and 49.61 (9)°, respectively, in the second molecule. In the crystal, the two molecules, together with their inversion-symmetry counterparts, are linked into tetramers by O—H⋯N hydrogen bonds. The tetramers form layers parallel to (211) through pairwise C—H⋯π interactions. |
format | Online Article Text |
id | pubmed-4257281 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42572812014-12-05 Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine Mague, Joel T. Mohamed, Shaaban K. Akkurt, Mehmet El-Emary, Talaat I. Albayati, Mustafa R. Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(15)H(14)N(4)O, crystallizes with two molecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175 Å). In the first molecule, the dihedral angles between the planes of the central pyrazole ring and the pendant phenyl and pyrrole rings are 42.69 (8) and 51.88 (6)°, respectively, with corresponding angles of 54.49 (7) and 49.61 (9)°, respectively, in the second molecule. In the crystal, the two molecules, together with their inversion-symmetry counterparts, are linked into tetramers by O—H⋯N hydrogen bonds. The tetramers form layers parallel to (211) through pairwise C—H⋯π interactions. International Union of Crystallography 2014-10-31 /pmc/articles/PMC4257281/ /pubmed/25484837 http://dx.doi.org/10.1107/S1600536814023514 Text en © Mague et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Mague, Joel T. Mohamed, Shaaban K. Akkurt, Mehmet El-Emary, Talaat I. Albayati, Mustafa R. Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine |
title | Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine |
title_full | Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine |
title_fullStr | Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine |
title_full_unstemmed | Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine |
title_short | Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine |
title_sort | crystal structure of (e)-n-{[3-methyl-1-phenyl-5-(1h-pyrrol-1-yl)-1h-pyrazol-4-yl]methylidene}hydroxylamine |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257281/ https://www.ncbi.nlm.nih.gov/pubmed/25484837 http://dx.doi.org/10.1107/S1600536814023514 |
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